SCHEMBL11332004

SCHEMBL11332004

COC(=O)c1c(CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 6/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
MAPT P10636 2/20 0.39
ABCC4 O15439 2/20 0.39
CACNA1F O60840 2/20 0.39
ABCB11 O95342 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
OPRM1 P35372 2/20 0.39
SCN1A P35498 2/20 0.39
HTR2B P41595 2/20 0.39
CACNA1D Q01668 2/20 0.39
KCNH2 Q12809 2/20 0.39
CACNA1S Q13698 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL283204 0.81 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1NPSR1MAPTABCC4
SCHEMBL283122 0.80 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1NPSR1MAPTABCC4
SCHEMBL27694995 0.80 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1MAPTABCC4CACNA1F
SCHEMBL283205 0.79 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1NPSR1MAPTABCC4
SCHEMBL24861312 0.78 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1NPSR1MAPTABCC4
SCHEMBL26977894 0.78 NQO2 (0.52) SMN1; SMN2ALDH1A1NPSR1MAPTABCC4
SCHEMBL283121 0.78 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1NPSR1MAPTABCC4
SCHEMBL28196232 0.77 TDP1 (0.44) SMN1; SMN2ALDH1A1NPSR1TSHRTDP1
SCHEMBL11871085 0.77 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1NPSR1MAPTABCC4
SCHEMBL5471856 0.76 BACE1 (0.44) SMN1; SMN2ALDH1A1NPSR1MAPTABCC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002624-B1 2-BENZAZEPINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1981-10-14 EP disclosed
EP-0002624-A1 2-Benzazepine compounds, processes for their preparation and pharmaceutical compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1979-06-27 EP disclosed